![Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate structure](/static/products/914/91480-77-2.png)
Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate
TL;DR: Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate (CAS 91480-77-2) is a chemical compound with molecular formula C21H32N2O6 and molecular weight 408.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate
Also Known As: butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate, butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-y, Dibutyl 4,4'-(2-methylpiperazine-1,4-diyl)bis(4-oxobut-2-enoate), BUTYL 4-[4-(3-BUTOXYCARBONYLPROP-2-ENOYL)-3-METHYL-PIPERAZIN-1-YL]-4-OXO-BUT-2-ENOATE
| Molecular Formula | C21H32N2O6 |
|---|---|
| Molecular Weight | 408.23 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 408.22604 |
| Heavy Atoms | 29 |
| Complexity | 629.0 |
Chemical Identifiers
| CAS Number | 91480-77-2 |
|---|---|
| SMILES | CCCCOC(=O)C=CC(=O)N1CCN(C(C1)C)C(=O)C=CC(=O)OCCCC |
| InChIKey | UUBOPQDETFLWIY-UHFFFAOYSA-N |
Product Overview
Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate (CAS 91480-77-2), with molecular formula C21H32N2O6 and molecular weight 408.23 g/mol. IUPAC: butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate.
Chemical Property Profile of Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate
Property Insights of Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate. Following Lipinski's Rule of Five, Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate?
The CAS number of Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate is 91480-77-2.
What is the molecular formula of Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate?
The molecular formula of Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate is C21H32N2O6.
What is the molecular weight of Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate?
The molecular weight of Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate is 408.23 g/mol.
Where can I buy Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate?
You can request a quote for Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-[4-(4-butoxy-4-oxobut-2-enoyl)-3-methylpiperazin-1-yl]-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.